Basic information
- Standard SMILES
CN1C(=O)C(F)(F)CN(C2CCCC2)c2nc(Cl)ncc21- InChIKey
AHJZAWIFZSBGKJ-UHFFFAOYSA-N- Molecular formula
- C13H15ClF2N4O
- Average molar mass
- 316.73 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-9-cyclopentyl-7,7-difluoro-5-methyl-8,9-dihydro-5H-pyrimido[4,5-B][1,4]diazepin-6(7H)-one
- IUPAC
- 2-chloro-9-cyclopentyl-7,7-difluoro-5-methyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one
Names & synonyms
1062246-03-02-CHLORO-9-CYCLOPENTYL-7,7-DIFLUORO-5-METHYL-8,9-DIHYDRO-5H-PYRIMIDO[4,5-B][1,4]DIAZEPIN-6(7H)-ONEMFCD255420982-Chloro-9-cyclopentyl-7,7-difluoro-5-methyl-5,7,8,9-tetrahydro-6H-pyrimido[4,5-b][1,4]diazepin-6-one2-chloro-9-cyclopentyl-7,7-difluoro-5-methyl-8H-pyrimido[4,5-b][1,4]diazepin-6-oneRO3280 intermediateC13H15ClF2N4OSCHEMBL1559681SCHEMBL30135708AKOS0272534412-chloro-9-cyclopentyl-7,7-difluoro-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one2-Chloro-9-cyclopentyl-7,7-difluoro-5-methyl-8,9-dihydro-5H-pyrimido[5,4-b][1,4]diazepin-6(7H)-one
Show more names
AS-41748CS-0136244F3318676H-Pyrimido[4,5-b][1,4]diazepin-6-one, 2-chloro-9-cyclopentyl-7,7-difluoro-5,7,8,9-tetrahydro-5-methyl-
Database identifiers
- PubChem CID
- 57955574
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 419
Related reactions
87 records
Compound notes
Loading…